Information card for entry 2000043

Structure parameters

• Formula: C69 H98 N5 P S8 W6
• Calculated formula: C77 H122 N5 P S8 W6
• Title of publication: The Dean-Evans Relation in ^31^P NMR Spectroscopy and Its Application to the Chemistry of Octahedral Tungsten Sulfide Clusters
• Authors of publication: Jin, Song; Adamchuk, Jennifer; Xiang, Bosong; DiSalvo, Francis J.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2002
• Journal volume: 124
• Journal issue: 31
• Pages of publication: 9229 - 9240
• a: 16.1816 ± 0.0004 Å
• b: 15.9178 ± 0.0004 Å
• c: 29.4907 ± 0.0008 Å
• α: 90°
• β: 91.4768 ± 0.001°
• γ: 90°
• Cell volume: 7593.56 ų
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.0571
• Weighted residual factors for significantly intense reflections: 0.0571
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No